CID 140174609

1251455-19-2

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)NCC(=C)CO
InChI
InChI=1S/C9H17NO3/c1-7(6-11)5-10-8(12)13-9(2,3)4/h11H,1,5-6H2,2-4H3,(H,10,12)
InChIKey
HDOXJDBPIUWHFE-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(hydroxymethyl)prop-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 144.0
[M+Na]+ 210.11007 149.4
[M-H]- 186.11357 142.8
[M+NH4]+ 205.15467 163.0
[M+K]+ 226.08401 149.1
[M+H-H2O]+ 170.11811 139.4
[M+HCOO]- 232.11905 164.0
[M+CH3COO]- 246.13470 182.6
[M+Na-2H]- 208.09552 147.4
[M]+ 187.12030 144.6
[M]- 187.12140 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe